3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid

C14H15N3O2 — CID 157088032

IUPAC3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid
SMILESCCc1c[nH]c2ccccc12.O=C(O)c1ccn[nH]1
InChIInChI=1S/C10H11N.C4H4N2O2/c1-2-8-7-11-10-6-4-3-5-9(8)10;7-4(8)3-1-2-5-6-3/h3-7,11H,2H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyAEHYNRCCJGUXJL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.84
Rot. Bonds2

About 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid

3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid (PubChem CID 157088032) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid
PubChem CID157088032
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid
SMILESCCc1c[nH]c2ccccc12.O=C(O)c1ccn[nH]1
InChIInChI=1S/C10H11N.C4H4N2O2/c1-2-8-7-11-10-6-4-3-5-9(8)10;7-4(8)3-1-2-5-6-3/h3-7,11H,2H2,1H3;1-2H,(H,5,6)(H,7,8)
InChIKeyAEHYNRCCJGUXJL-UHFFFAOYSA-N
XLogP2.84
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1H-indole;methanamine
CID 142222050
2-[di(propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 11845681
CID 87710053
CID 87710053
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-ethyl-1H-quinolin-4-one
CID 10374897
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
2-ethyl-4-(1H-indol-3-yl)-3-oxobutanoic acid
CID 160676695
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
2-(1H-indol-3-ylmethyl)prop-2-enoic acid
CID 10081533
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid (CID 157088032) is 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid is CCc1c[nH]c2ccccc12.O=C(O)c1ccn[nH]1.
What is the InChIKey of 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid?
The InChIKey is AEHYNRCCJGUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C4H4N2O2/c1-2-8-7-11-10-6-4-3-5-9(8)10;7-4(8)3-1-2-5-6-3/h3-7,11H,2H2,1H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid?
3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 157088032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).